4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane

C23H37ClOSi — CID 54541634

IUPAC4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H37ClOSi/c1-25-15-2-16-26-17-13-20(14-18-26)4-3-19-5-7-21(8-6-19)22-9-11-23(24)12-10-22/h9-12,19-21,26H,2-8,13-18H2,1H3
InChIKeyZDPOMVFMHVKGKW-UHFFFAOYSA-N
MW393.09 g/mol
LogP7.07
Rot. Bonds8

About 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane

4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane (PubChem CID 54541634) has the molecular formula C23H37ClOSi and a molecular weight of 393.09 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
PubChem CID54541634
Molecular FormulaC23H37ClOSi
Molecular Weight393.09 g/mol
Exact Mass392.23
IUPAC Name4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H37ClOSi/c1-25-15-2-16-26-17-13-20(14-18-26)4-3-19-5-7-21(8-6-19)22-9-11-23(24)12-10-22/h9-12,19-21,26H,2-8,13-18H2,1H3
InChIKeyZDPOMVFMHVKGKW-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.09
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 67579549
4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane
CID 22867208
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-ethynyl-4-[4-(3-methoxypropyl)cyclohexyl]benzene
CID 139985225
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
4-[2-[4-[4-(4-ethoxy-3-fluorophenyl)phenyl]cyclohexyl]ethyl]-1-pent-4-enylsilinane
CID 54732129
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
CID 19097942
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane (CID 54541634) is 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane is COCCC[SiH]1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
The InChIKey is ZDPOMVFMHVKGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClOSi/c1-25-15-2-16-26-17-13-20(14-18-26)4-3-19-5-7-21(8-6-19)22-9-11-23(24)12-10-22/h9-12,19-21,26H,2-8,13-18H2,1H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane?
4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane has a molecular weight of 393.09 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane is sourced from PubChem (CID 54541634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).